이름: 2-(3-bromo-phenyl)-4,4,8-trimethyl-1,2,3,4-tetrahydro-quinoline-6-carbonitrile
SMILES:
Cc1cc(C#N)cc2c1NC(c1cccc(Br)c1)CC2(C)CMolecular Processing
Molecular formula
C19H19BrN2
Molecular weight
355.28
Exact mass
354.0732
XLogP
5.46
TPSA
35.82
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
94.04
Supplementary Information
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